Released 6 of November 2024. Contributors A total of 3 people contributed to this release. People with a "+" by their names contributed a patch for the first time. Arnold Kole + Nick Papior Pol Febrer Pull requests merged A total of 14 pull requests were merged for this release. #691: Parsing of Mulliken charges from SIESTA stdout #833: Fixed spin polarized fatbands #836: Fix orbital values when an orbital is completely outside of the unit cell #843: Fix sparse grid tests #844: Fix failing test for minimal dependencies #845: Accessors and grouping documentation entries #846: fixed bug reading geometry from ncSileSiesta #848: Allow for any type of integer when requesting neighbor items #849: Improve plotables documentation #850: trying to fix the within_inf problem #851: major restructure of the documentation #857: fixed 5.2 reading of charges #859: Use cutoff from basis files (xml, nc) #860: New wheels Maintenance pull requests merged A total of 4 pull requests were merged for this release. #830: Bump pypa/gh-action-pypi-publish from 1.10.1 to 1.10.2 #834: Bump JamesIves/github-pages-deploy-action from 4.6.4 to 4.6.8 #837: Bump pypa/gh-action-pypi-publish from 1.10.2 to 1.10.3 #855: Bump pypa/gh-action-pypi-publish from 1.10.3 to 1.11.0 Changelog Added added timesSileSiesta which can read siesta TIMES output Parsing of total Mulliken charges in stdoutSileSiesta, #691 Fixed reading charges from Siesta 5.2 output files, #856 a read problem for very big simulations (related to orbindxSileSiesta) bug-fix for tbtSileTBtrans.Eindex handling of integers, #829 This is a regression fix, integers will now be handled differently than prior releases. A warning is raised to inform users. fixed warning raised when reading electronic structure without Ef, #826 fixed precision writing of energies in GF files (siesta), #827 fixed reading HSetupOnly HSX files from Siesta, #828 fixed reading stresses and forces from stdoutSileSiesta Note that generally the forces/stresses in the Final section of the output will not be returned. Only if there are no other forces/stresses in the output file. Changed tbtSileTBtrans.Eindex changed, see #829 for details.

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